==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 11-MAY-94 1LEA . COMPND 2 MOLECULE: LEXA REPRESSOR DNA BINDING DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.H.FOGH,G.OTTLEBEN,H.RUETERJANS,M.SCHNARR,R.BOELENS, . 72 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 5 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 45.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 167 0, 0.0 2,-0.3 0, 0.0 71,-0.1 0.000 360.0 360.0 360.0 -65.2 -5.9 1.1 -17.8 2 2 A K - 0 0 52 69,-0.4 2,-0.3 2,-0.0 51,-0.0 -0.849 360.0-152.9-138.7 98.8 -5.4 -1.0 -14.5 3 3 A A - 0 0 88 -2,-0.3 2,-0.4 69,-0.1 69,-0.0 -0.551 3.9-146.8 -83.1 133.8 -8.4 -0.9 -12.2 4 4 A L - 0 0 30 -2,-0.3 46,-0.0 2,-0.0 -1,-0.0 -0.822 14.3-124.6-103.5 131.5 -8.0 -1.3 -8.3 5 5 A T > - 0 0 80 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.287 35.9 -98.5 -68.2 155.7 -10.7 -3.0 -6.0 6 6 A A H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.817 117.9 39.9 -50.0 -49.1 -12.1 -1.0 -2.9 7 7 A R H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.862 117.4 48.3 -75.0 -34.9 -9.9 -2.5 -0.0 8 8 A Q H > S+ 0 0 6 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.898 109.6 54.5 -65.2 -39.6 -6.6 -2.6 -2.1 9 9 A Q H X S+ 0 0 46 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.862 104.0 55.0 -57.4 -37.6 -7.4 1.1 -3.2 10 10 A E H X S+ 0 0 86 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.931 108.7 47.7 -57.0 -45.8 -7.6 1.9 0.7 11 11 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.938 113.2 48.5 -56.6 -49.6 -4.0 0.4 1.0 12 12 A F H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.912 109.4 52.2 -56.7 -46.6 -2.9 2.6 -2.1 13 13 A D H X S+ 0 0 75 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.873 107.8 51.4 -58.4 -41.2 -4.5 5.8 -0.6 14 14 A L H X S+ 0 0 18 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.876 109.2 51.4 -62.4 -37.6 -2.6 5.3 2.8 15 15 A I H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.953 114.8 42.3 -58.9 -51.6 0.8 4.9 0.7 16 16 A R H X S+ 0 0 83 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.900 114.2 52.1 -60.7 -44.2 -0.0 8.3 -1.1 17 17 A D H X S+ 0 0 81 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.886 110.3 46.6 -60.4 -45.1 -1.2 10.0 2.2 18 18 A H H X S+ 0 0 10 -4,-2.2 4,-2.6 2,-0.2 5,-0.5 0.883 113.6 49.0 -67.5 -36.9 2.0 9.1 4.2 19 19 A I H X S+ 0 0 52 -4,-1.8 4,-1.7 3,-0.2 -2,-0.2 0.926 112.2 49.4 -62.0 -47.1 4.2 10.3 1.2 20 20 A S H < S+ 0 0 107 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.762 120.3 36.4 -62.6 -29.5 2.2 13.6 1.0 21 21 A Q H < S+ 0 0 133 -4,-1.4 -2,-0.2 3,-0.1 -1,-0.2 0.854 137.9 11.3 -85.1 -46.4 2.5 14.2 4.9 22 22 A T H < S- 0 0 70 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.585 89.7-119.2-108.3 -18.9 6.2 12.9 5.6 23 23 A G S < S+ 0 0 58 -4,-1.7 -4,-0.2 -5,-0.5 -3,-0.1 -0.229 86.8 83.2 95.2 -45.8 8.0 12.4 2.2 24 24 A M S S- 0 0 93 -6,-0.3 -2,-0.3 1,-0.1 -1,-0.2 -0.576 81.7-107.5 -94.9 155.5 8.5 8.6 2.8 25 25 A P - 0 0 23 0, 0.0 -10,-0.1 0, 0.0 -1,-0.1 -0.365 41.7-102.3 -75.0 160.8 6.2 5.4 2.3 26 26 A P - 0 0 0 0, 0.0 39,-0.5 0, 0.0 2,-0.1 -0.355 27.5-108.5 -83.2 163.4 4.5 3.5 5.4 27 27 A T > - 0 0 32 37,-0.2 4,-2.1 1,-0.1 37,-0.1 -0.466 29.3-112.3 -74.2 156.8 5.4 0.2 7.2 28 28 A R H > S+ 0 0 70 35,-0.4 4,-2.0 2,-0.2 5,-0.1 0.812 121.1 57.4 -58.9 -30.6 3.2 -3.0 6.9 29 29 A A H > S+ 0 0 53 2,-0.2 4,-2.7 3,-0.1 5,-0.2 0.928 105.4 49.2 -62.2 -47.0 2.4 -2.5 10.6 30 30 A E H >>S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 5,-0.5 0.902 110.5 51.3 -55.7 -43.8 0.9 1.1 9.8 31 31 A I H X5S+ 0 0 2 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.926 115.9 41.2 -59.7 -47.9 -1.2 -0.5 6.9 32 32 A A H X>S+ 0 0 6 -4,-2.0 5,-2.5 -5,-0.1 4,-0.6 0.905 123.0 38.3 -62.5 -45.8 -2.6 -3.2 9.3 33 33 A Q H <5S+ 0 0 156 -4,-2.7 -3,-0.2 3,-0.2 -2,-0.2 0.914 117.5 43.4 -77.1 -48.5 -3.2 -0.8 12.3 34 34 A R H <5S+ 0 0 111 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.884 119.3 41.0 -72.1 -40.6 -4.4 2.6 10.7 35 35 A L H <> S- 0 0 75 1,-0.1 3,-1.8 -7,-0.0 4,-0.8 -0.970 74.0-148.7-113.3 117.2 -4.8 -10.3 10.7 40 40 A P H 3> S+ 0 0 85 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.758 96.5 69.8 -52.7 -25.9 -1.6 -8.3 9.3 41 41 A N H 3> S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.790 93.4 56.6 -59.6 -30.5 -1.4 -11.0 6.5 42 42 A A H <> S+ 0 0 37 -3,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.909 107.0 48.2 -65.6 -42.5 -4.7 -9.6 5.0 43 43 A A H X S+ 0 0 3 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.923 113.6 48.0 -57.0 -46.6 -2.9 -6.1 4.8 44 44 A E H X S+ 0 0 79 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.879 109.1 53.7 -57.5 -43.9 0.2 -7.8 3.1 45 45 A E H X S+ 0 0 135 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.903 109.8 46.2 -62.2 -43.9 -2.2 -9.8 0.6 46 46 A H H X S+ 0 0 48 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.890 112.5 51.8 -62.9 -39.9 -3.8 -6.5 -0.6 47 47 A L H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.927 109.6 49.5 -57.3 -47.3 -0.3 -4.9 -0.9 48 48 A K H X S+ 0 0 84 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.930 108.1 53.8 -55.3 -48.0 0.9 -8.0 -3.0 49 49 A A H X S+ 0 0 29 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.836 106.6 52.6 -55.3 -37.2 -2.3 -7.6 -5.3 50 50 A L H X>S+ 0 0 0 -4,-1.7 5,-2.0 2,-0.2 4,-1.7 0.934 113.6 42.6 -61.0 -49.3 -1.3 -3.9 -5.9 51 51 A A H <5S+ 0 0 36 -4,-1.9 -2,-0.2 3,-0.2 -3,-0.1 0.901 112.6 53.5 -61.9 -43.2 2.3 -5.0 -7.0 52 52 A R H <5S+ 0 0 192 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.846 111.2 45.3 -62.7 -38.8 1.0 -8.0 -9.1 53 53 A K H <5S- 0 0 88 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.854 123.6-105.3 -68.2 -38.8 -1.4 -5.6 -11.2 54 54 A G T <5S+ 0 0 31 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.736 85.6 108.3 120.4 38.4 1.4 -3.0 -11.6 55 55 A V S - 0 0 48 6,-2.0 3,-1.0 -2,-0.9 2,-0.8 -0.613 16.9-147.5 -79.5 92.8 11.3 -3.0 -1.6 60 60 A S T 3 S+ 0 0 110 -2,-1.3 3,-0.1 1,-0.2 -1,-0.1 -0.508 81.0 30.9 -80.8 101.4 11.6 -6.3 0.4 61 61 A G T 3 S+ 0 0 73 -2,-0.8 2,-0.5 1,-0.3 -1,-0.2 -0.210 96.0 90.8 139.8 -53.2 14.1 -5.6 3.2 62 62 A A < - 0 0 44 -3,-1.0 3,-0.4 1,-0.1 -1,-0.3 -0.700 65.8-148.3 -78.0 123.4 13.4 -1.9 3.9 63 63 A S S S+ 0 0 87 -2,-0.5 2,-1.0 1,-0.3 -35,-0.4 0.933 100.1 37.4 -60.3 -52.2 10.7 -1.4 6.7 64 64 A R S S+ 0 0 109 -37,-0.1 -1,-0.3 1,-0.1 -37,-0.2 -0.753 93.0 129.4 -91.5 82.7 9.3 2.0 5.2 65 65 A G + 0 0 6 -2,-1.0 -6,-2.0 -39,-0.5 2,-0.4 -0.525 10.2 120.3-145.7 72.2 9.8 0.6 1.6 66 66 A I E -A 58 0A 1 -8,-0.2 2,-0.4 -2,-0.1 -8,-0.2 -0.894 44.1-153.9-136.0 102.6 6.9 0.9 -0.9 67 67 A R E -A 57 0A 145 -10,-2.2 -10,-2.2 -2,-0.4 2,-0.4 -0.653 15.6-128.6 -85.7 128.9 7.7 3.0 -4.1 68 68 A L E +A 56 0A 79 -2,-0.4 -12,-0.2 -12,-0.2 -1,-0.0 -0.629 40.7 155.2 -80.4 120.8 4.7 4.6 -5.9 69 69 A L - 0 0 114 -14,-2.2 2,-0.3 -2,-0.4 -13,-0.2 0.821 49.3 -14.5-112.6 -51.8 4.7 3.9 -9.7 70 70 A Q + 0 0 49 -15,-1.5 -1,-0.3 1,-0.0 2,-0.1 -0.953 36.4 165.6-152.4 162.3 1.2 4.0 -11.6 71 71 A E 0 0 59 -2,-0.3 -69,-0.4 -17,-0.0 -1,-0.0 -0.154 360.0 360.0-145.2 -97.3 -2.6 4.2 -11.3 72 72 A E 0 0 170 -71,-0.1 -69,-0.1 -2,-0.1 -2,-0.0 -0.127 360.0 360.0 62.8 360.0 -4.9 5.2 -14.4